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This repository is version 1 of QP. This version is not supported any more. Version 2 is available here : https://github.com/QuantumPackage/qp2
406 Commits 6 Branches 5 Tags 93 MiB
Fortran 80.5%
OCaml 9.4%
Python 5.5%
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Shell 0.8%
Other 0.1%
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Anthony Scemama 2b4c391c1d Cleaning of types in mo integrals
2015-03-22 20:48:37 +01:00
bin Improved setup scripts to auto-install curl and m4 2014-10-23 22:40:21 +02:00
data Added Huckel guess and fixed compatibility with new EMSL 2015-03-20 11:34:24 +01:00
doc Added documentation and Makefile 2014-04-01 18:21:01 +02:00
include Installation of zlib 2015-01-12 19:14:00 +01:00
lib Installation of zlib 2015-01-12 19:14:00 +01:00
ocaml Added Huckel guess and fixed compatibility with new EMSL 2015-03-20 11:34:24 +01:00
scripts Merge branch 'master' of github.com:LCPQ/quantum_package 2015-03-20 11:35:45 +01:00
src Cleaning of types in mo integrals 2015-03-22 20:48:37 +01:00
tests add create_excitations.irp.f 2015-03-18 11:38:55 +01:00
.gitignore Added MOs and bitmasks 2014-04-03 01:59:48 +02:00
INSTALL.md Added INSTALL.md 2015-01-09 23:52:44 +01:00
LICENSE Initial commit 2014-04-01 02:24:45 -07:00
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README.md INSTALL.md link 2015-01-09 23:53:47 +01:00
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README.md

Quantum package

Gitter

Set of quantum chemistry programs and libraries.

For more information, you can visit the wiki of the project, or the Install file.